NAISS Training Newsletter
No 20, 15 March 2024
– Published 15 March 2024
Welcome to the next edition of the NAISS training newsletter. We have a number of newly advertised events. These include: Handling of sensitive data, Our AI system Alvis, Code-Saturne for CFD practitioners and Pandas for data science. If you want to speak to us directly, please join the zoom-in on 21 March. We remind on a number of events, which have been advertised before, this includes the CodeRefinery workshop and a number of events from ENCCS.
NEW: NAISS provides an overview on all training events on the NAISS events webpage.
Overview
NAISS events
- Registration open for Online Training: Introduction to PDC Systems Course, 21-22 March 2024
- Online Workshop: VASP/EMTO Best Practices Workshop, 16 - 18 April
- Online workshop: Introduction to Bianca: Handling Sensitive Research Data, 19 April 2024
- Online training seminar: Introduction to Alvis, 23 April from 13:15 to 15:00
- Online training: Programming Formalisms course, 22 - 26 April 2024
- Online webinar: Introduction to Code-Saturne, 26 April 2024
- Online training course: Introduction to Pandas for data science, LUNARC, 13 - 14 May 2024
- Online training course: Using Python in an HPC environment, UPPMAX & HPC2N, 15 May 2024
Online interactive support and discussion forum
- NAISS Zoom-in - a virtual open-house, 21 March from 14:00 until 15:00
CodeRefinery training
- Online workshop: CodeRefinery workshop, 19-21 March 2024
ENCCS training
- The Multi-GPU Programming Bootcamp, 6-7 May
- The AI for Science Bootcamp, 25-26 June
- Publicly available training material
- Training events from around Europe
NAISS training
Online Training: Introduction to PDC Systems Course, 21-22 March 2024
This course spans two half-days and focuses on utilising the Dardel high-performance computing (HPC) system provided by PDC. Throughout the course, we will cover fundamental information about Dardel and its usage, including an overview of the infrastructure, account management, logging in procedures, job execution, data storage, and code compilation. Specifically, we will progress from basic usage of Dardel to more advanced topics, such as exploring scientific areas where application experts can provide assistance and showcasing flagship software developed at KTH.
Time: Thu 2024-03-21 09.00 - Fri 2024-03-22 12.00
Location: Online via Zoom
For more information and access to registration please visit the PDC systems course page.
Online Workshop: VASP/EMTO Best Practices Workshop, 16 - 18 April
Cooperation between ENCCS and NAISS
NAISS and ENCCS organise the VASP/EMTO Best Practices Workshop. During the workshop we will showcase how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO (Exact Muffin-Tin Orbitals) packages efficiently on supercomputers. This workshop includes: 1) basic theory, DFT and PAW-method; 2) general introduction to VASP and EMTO, essential files and parameters, workflow; 3) running VASP at HPC centers, CPUs and GPUs (examples from NAISS); 4) performance analysis; 5) common issues; 6) post-processing tools; and 7) running VASP/EMTO calculations step-by-step on the Tetralith and Leonardo Booster clusters.
Time: 16-18 April, 10:00-15:00 (2024).
Detailed information and access to registration are handled on the VASP/EMTO workshop page at ENCCS.
Online workshop: Introduction to Bianca: Handling Sensitive Research Data, 19 April 2024
Are you just beginning to work with sensitive data in your research? If yes, welcome to a 1-day introduction to handling sensitive data on the UPPMAX cluster, Bianca. We will tell you about NAISS-SENS, how to login to Bianca, transfer files via wharf, basics of the SLURM workload manager and the module system.
The workshop is intended for beginner users of Bianca.
You do not need to be a member of a NAISS-SENS project in order to join the workshop. A SUPR course project will be available to all participants. The workshop will consist of both lectures and exercise sessions.
When: Friday, April 19
Where: online via Zoom
For more information and registration please visit the Bianca introduction page at UPPMAX.
Online training seminar: Introduction to Alvis, 23 April from 13:15 to 15:00
This is seminar is for new and prospective users of the NAISS cluster for AI/ML, Alvis. You will learn all that you need to know to get started on the system.
Time: 23 April 13:15
Location: Alvis introduction Zoom link
For more information visit the C3SE events page.
Online training: Programming Formalisms course, 22 - 26 April 2024
Collaboration between UPPMAX and NBIS
This course aims to give life scientists, bioinformaticians, and other scientists with some experience in programming and scripting an understanding of the underlying principles of software development, design, and programming. The course aims to strengthen the understanding of more advanced programming concepts, ability to produce more reusable scripts through modular programming and to enable a better understanding of how to evaluate a script or programs performance.
We will cover an introduction to Algorithms and Data structures, Programming Paradigms especially structured and object oriented programming and to give a overview of other paradigms like functional programming. Modular development and (code) reusability, testing and optimisation.
We will cover theory with bridging practical examples and applications to enhance the theoretical understanding of the principles.
For registration and more information, please visit the programming formalisms course page at UPPMAX.
Online webinar: Introduction to Code-Saturne 26 April 2024
A free open-source code for CFD applications. This webinar is suitable for researchers who already have experience using Computational Fluid Dynamics (CFD) codes. While this webinar is primarily geared for R&D personnel from the industrial/business arena, academic researchers and research software engineers with expertise in the CFD area are also welcome to attend.
When: Fri 2024-04-26, 15.00 - 16.00
Where: online via Zoom
For more information please visit the Code-Saturn introduction page at PDC.
Online training course: Introduction to Pandas for data science, LUNARC, 13 - 14 May 2024
This course will introduce the core Pandas data types, basic input/output routines, data selection and filtering, data inspection and cleaning methods, built-in and user-defined functions for data manipulation, hierarchical data structures, and some built-in visualization methods. There will be a mix of static examples and live demonstrations via Jupyter notebook, and exercises will be provided to complement the lecture materials.
For more information and access to registration, please visit the Pandas introduction page at LUNARC.
Online training course: Using Python in an HPC environment, UPPMAX & HPC2N, 15 May 2024
This course aims to give a brief, but comprehensive introduction to using Python in an HPC environment. You will learn how to use modules to load Python, how to find site installed Python packages, as well as how to install packages yourself. In addition, you will learn how to use virtual environments, write a batch script for running Python, use Python in parallel, and how to use Python for ML and on GPUs.
The course is a cooperation between UPPMAX and HPC2N. The instructors will use UPPMAX's systems for demos and there will be hands-on exercises for the participants.
This course will consist of lectures interspersed with hands-on sessions where you get to try out what you have just learned.
Remote/online participation: The course will be completely online and we will use Zoom. More information about connecting and such will be sent to the participants close to the course.
The goal for the course is that you will be able to
- Load Python modules and site-installed Python packages
- Create a virtual environment and install your own Python packages to it
- Write a batch script for running Python
- Use Python in parallel
- Use Python for ML
- Use GPUs with Python
Prerequisites: familiarity with the LINUX command line, basic Python
For more info and registration, please visit:
Online interactive support and discussion forum
NAISS Zoom-in - a virtual open-house, 21 March from 14:00 until 15:00
You are invited to a virtual meeting room. Inside the meeting room we like to discuss services offered by NAISS and how they can be used for your computational needs, help you process your data and visualise your results. Participants are highly encouraged to pose their own questions.
We also expect to have experts available from C3SE, HPC2N and LUNARC, to discuss the University operated HPC services at Chalmers, Umeå and Lund University.
Zoom-link for the NAISS Zoom-in session on 21 March
CodeRefinery training
Online workshop: CodeRefinery workshop, 19-21 March 2024
Are you writing code and managing data for your research? Do you feel like wasting too much time on manual work? Do you struggle to understand and reuse older code?
Join the 2nd week of the CodeRefinery workshop 19-21 March 2024, for free and online.
The workshop covers good coding practices, reproducible research principles, and using Git for collaboration. It offers breakout room exercises with team leaders, and you can register as a team or volunteer as a team leader. But you can also follow on your own if you prefer. In-person exercise sessions are available in some locations.
For registration and more information, please visit the CodeRefinery workshop page at GitHub.
ENCCS training
The Multi-GPU Programming Bootcamp, 6-7 May
Scaling applications to multiple GPUs across multiple nodes requires one to be adept at programming models and optimisation techniques, and proficient at performing root-cause analysis using in-depth profiling to identify and minimise bottlenecks.
Topics on GPU programming covers single node multi-GPU (P2P) and multi-Node multi-GPU (GPU Direct) programming, the NVIDIA Collectives Communications Library (NCCL), and the NVSHMEM, which is a parallel programming interface based on OpenSHMEM that provides efficient and scalable communication for NVIDIA GPU clusters).
The Multi-GPU Programming Bootcamp covers step-by-step ways to improve application performance using cues from profilers and provides an understanding of the underlying technologies and communication topology needed to leverage powerful NVIDIA® libraries to extract more performance from the system.
Time: May 6-7, 9:00-15:00 (2024).
For more information information and registration, see the event pages:
The AI for Science Bootcamp, 25-26 June
Abstract: The AI for Science Bootcamp provides a step-by-step overview of the fundamentals of deep neural networks and walks attendees through the hands-on experience of building and improving deep learning models for applications related to scientific computing and physical systems defined by differential equations.
The material will cover more advanced topics, such as physics-informed neural networks (PINNs) and operator learning and make use of tools like NVIDIA Modulus to develop and train the models. Furthermore, this online bootcamp is a hands-on learning experience where we will guide you through step-by-step instructions with teaching assistants on hand to help throughout.
Time: June 25-26, 9:00-13:30 (2024).
For more information information and registration, see the event pages:
Publicly available training material
ENCCS develops and maintains a library of training material on topics in HPC, AI and Quantum Computing which is suitable for self-paced learning, see the training library at ENCCS.
Training events from around Europe
Many HPC centres and National Competence Centres around Europe offer diverse HPC training workshops open to anyone in Europe, many of which are online. Upcoming workshops can be found at the European HPC Portal.